1-(3,4-dihydronaphthalen-1-yl)-2-diphenoxyphosphorylnaphthalene

C32H25O3P — CID 177436997

IUPAC1-(3,4-dihydronaphthalen-1-yl)-2-diphenoxyphosphorylnaphthalene
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)c1ccc2ccccc2c1C1=CCCc2ccccc21
InChIInChI=1S/C32H25O3P/c33-36(34-26-15-3-1-4-16-26,35-27-17-5-2-6-18-27)31-23-22-25-13-8-10-20-29(25)32(31)30-21-11-14-24-12-7-9-19-28(24)30/h1-10,12-13,15-23H,11,14H2
InChIKeyNLMSWHHQPGLDTB-UHFFFAOYSA-N
MW488.52 g/mol
LogP8.19
Rot. Bonds6

About 1-(3,4-dihydronaphthalen-1-yl)-2-diphenoxyphosphorylnaphthalene

1-(3,4-dihydronaphthalen-1-yl)-2-diphenoxyphosphorylnaphthalene (PubChem CID 177436997) has the molecular formula C32H25O3P and a molecular weight of 488.52 g/mol. Its IUPAC name is 1-(3,4-dihydronaphthalen-1-yl)-2-diphenoxyphosphorylnaphthalene.

Molecular Properties

Compound Name1-(3,4-dihydronaphthalen-1-yl)-2-diphenoxyphosphorylnaphthalene
PubChem CID177436997
Molecular FormulaC32H25O3P
Molecular Weight488.52 g/mol
Exact Mass488.15
IUPAC Name1-(3,4-dihydronaphthalen-1-yl)-2-diphenoxyphosphorylnaphthalene
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)c1ccc2ccccc2c1C1=CCCc2ccccc21
InChIInChI=1S/C32H25O3P/c33-36(34-26-15-3-1-4-16-26,35-27-17-5-2-6-18-27)31-23-22-25-13-8-10-20-29(25)32(31)30-21-11-14-24-12-7-9-19-28(24)30/h1-10,12-13,15-23H,11,14H2
InChIKeyNLMSWHHQPGLDTB-UHFFFAOYSA-N
XLogP8.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.52
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene
CID 162414662
9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 158707285
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
9-(cyclohexen-1-yl)-10-(3,4-dihydronaphthalen-1-yl)anthracene
CID 123681996
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
2-(2-diethoxyphosphorylnaphthalen-1-yl)benzoic acid
CID 102106648
4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline
CID 88547922
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 11954527
2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene
CID 20606068
4,5-dihydro-1-benzoxepin-2-yl diphenyl phosphate
CID 102195946
4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole
CID 135045577
13λ4-selenapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 10523489

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydronaphthalen-1-yl)-2-diphenoxyphosphorylnaphthalene?
The IUPAC name of 1-(3,4-dihydronaphthalen-1-yl)-2-diphenoxyphosphorylnaphthalene (CID 177436997) is 1-(3,4-dihydronaphthalen-1-yl)-2-diphenoxyphosphorylnaphthalene.
What is the SMILES notation for 1-(3,4-dihydronaphthalen-1-yl)-2-diphenoxyphosphorylnaphthalene?
The canonical SMILES for 1-(3,4-dihydronaphthalen-1-yl)-2-diphenoxyphosphorylnaphthalene is O=P(Oc1ccccc1)(Oc1ccccc1)c1ccc2ccccc2c1C1=CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydronaphthalen-1-yl)-2-diphenoxyphosphorylnaphthalene?
The InChIKey is NLMSWHHQPGLDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25O3P/c33-36(34-26-15-3-1-4-16-26,35-27-17-5-2-6-18-27)31-23-22-25-13-8-10-20-29(25)32(31)30-21-11-14-24-12-7-9-19-28(24)30/h1-10,12-13,15-23H,11,14H2.
What are the key properties of 1-(3,4-dihydronaphthalen-1-yl)-2-diphenoxyphosphorylnaphthalene?
1-(3,4-dihydronaphthalen-1-yl)-2-diphenoxyphosphorylnaphthalene has a molecular weight of 488.52 g/mol, XLogP of 8.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydronaphthalen-1-yl)-2-diphenoxyphosphorylnaphthalene is sourced from PubChem (CID 177436997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).